- Influence of hydroxyl groups on the adsorption of HCHO on TiO2-B(100) surface by first-principles studyHuazhong Liu
Department of Civil and Architectural Engineering, City University of Hong Kong, Kowloon, Hong Kong
Phys Chem Chem Phys 15:3866-80. 2013..This unique mechanism provides a novel angle to understand the interaction of HCHO with the hydroxylated TiO(2) surface...
- Position effects of single vacancy on transport properties of single layer armchair h-BNC heterostructureMing Qiu
Department of Civil and Architectural Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong
Phys Chem Chem Phys 14:11478-83. 2012..The first-principles analysis of the microscopic nature reveals that strength of electronic transmission, evolutions of molecular orbitals and distributions of molecular states are the intrinsic responses to these transport properties...